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• W3213612356 endingPage "13845" @default.
• W3213612356 startingPage "13838" @default.
• W3213612356 abstract "A combined experimental and theoretical study of C2H2 and CO2 adsorption and separation was performed in two isostructural molecular porous materials (MPMs): MPM-1-Cl ([Cu2(adenine)4Cl2]Cl2) and MPM-1-TIFSIX ([Cu2(adenine)4(TiF6)2]). It was revealed that MPM-1-Cl displayed higher low-pressure uptake, isosteric heat of adsorption (Qst), and selectivity for C2H2 than CO2, whereas the opposite was observed for MPM-1-TIFSIX. While MPM-1-Cl contains only one type of accessible channel, which has a greater preference toward C2H2, MPM-1-TIFSIX contains three distinct accessible channels, one of which is a confined region between two large channels that represents the primary binding site for both adsorbates. According to molecular simulations, the initial adsorption site in MPM-1-TIFSIX interacts more strongly with CO2 than C2H2, thus explaining the inversion of adsorbate selectivity relative to MPM-1-Cl." @default.
• W3213612356 created "2021-11-22" @default.
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• W3213612356 date "2021-11-17" @default.
• W3213612356 modified "2023-09-25" @default.
• W3213612356 title "Tuning the Selectivity between C₂H₂ and CO₂ in Molecular Porous Materials" @default.
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• W3213612356 doi "https://doi.org/10.1021/acs.langmuir.1c02009" @default.
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• W3213612356 hasPublicationYear "2021" @default.
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